Product Name: Hexaacetonitrile
Chemical Formula: C12H12N6
CAS Number: 123-45-6
Synonyms: 1,1,2,2,3,3-Hexaacetonitrile
Manufacturer: Reliable Chemicals Ltd., 578 Industrial Ave, Houston, TX 77001, USA
Emergency Contact Number: CHEMTREC: 1-800-424-9300
Recommended Use: Laboratory chemical, solvent, intermediate for synthesis
Restrictions on Use: Not for food, drug, or cosmetic use; industrial and professional applications only
GHS Classification: Acute toxicity (oral, dermal, inhalation), Skin irritation, Eye irritation, Specific target organ toxicity
Signal Word: Danger
Hazard Statements: Highly toxic if swallowed, in contact with skin, or if inhaled; causes severe skin burns and eye damage; harmful to aquatic life
Pictograms: Skull and crossbones, Corrosive, Exclamation mark
Precautionary Statements: Avoid all contact with skin, eyes, clothing; do not breathe dust, vapors, or mist; wash exposed skin thoroughly after handling; wear personal protective equipment including gloves, goggles, and appropriate lab coat
Other Hazards: May produce toxic fumes in fire; vapors may cause drowsiness and dizziness; may have effects on the nervous system and internal organs after exposure
Chemical Name: Hexaacetonitrile
Concentration: 98-100%
CAS Number: 123-45-6
Impurities: Trace amounts of acetone, trace water (<1%)
Additives: None; single substance
Inhalation: Move the affected person to fresh air, keep them at rest, and seek immediate medical attention; provide oxygen if breathing is difficult
Skin Contact: Remove contaminated clothing instantly; rinse skin thoroughly with plenty of water for at least 15 minutes; call a physician
Eye Contact: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing and seek medical attention rapidly
Ingestion: Rinse mouth thoroughly; never give anything by mouth to an unconscious person; do not induce vomiting; get medical help quickly
Other Advice: Provide medical personnel with information about the chemical involved; make sure responders use protective equipment
Suitable Extinguishing Media: Carbon dioxide, dry powder, alcohol foam, water spray for larger fires
Unsuitable Media: Direct water streams may spread the burning liquid
Specific Hazards: May give off toxic gases such as hydrogen cyanide, nitrogen oxides, and carbon oxides under fire conditions
Protective Equipment for Firefighters: Wear self-contained breathing apparatus and full protective gear
Special Procedures: Cool fire-exposed containers with water spray; prevent runoff from entering drains or water sources
Explosion Data: Vapor may travel to a source of ignition and flashback; containers may explode under fire conditions
Personal Precautions: Wear chemical-resistant gloves, lab coat, and safety goggles; use a respirator in poorly ventilated areas
Environmental Precautions: Prevent spills from entering drains, watercourses, or soil; inform relevant authorities in case of large spillage
Methods for Cleanup: Absorb spill with inert material like vermiculite; place waste in a chemical waste container; ventilate area
Emergency Procedures: Evacuate non-essential personnel; contain and clean up using non-sparking tools and equipment; decontaminate area after removal
Handling: Work in a well-ventilated area or under a chemical fume hood; avoid inhalation or contact with skin and eyes; use non-sparking tools when transferring liquid; never pipette by mouth
Storage: Keep container tightly closed in a cool, dry, well-ventilated space; store away from heat, sparks, open flames, or sources of ignition; keep away from incompatible substances like acids, oxidizers, or reducing agents
Other Storage: Use secondary containment to prevent spills; label containers clearly and inspect them for leaks regularly
Exposure Limits: No occupational exposure limits established; treat as hazardous chemical
Engineering Controls: Laboratory fume hood, explosion-proof ventilation systems
Personal Protective Equipment: Chemical-resistant gloves (nitrile recommended), safety goggles, flame-retardant long-sleeved lab coat, full face shield for large volumes
Respiratory Protection: If ventilation is insufficient, wear an approved respirator; select respirators based on form and concentration
Hygiene Measures: Wash hands thoroughly after handling; do not eat, drink, or smoke when working with this substance; remove contaminated clothing and wash before reuse
Environmental Controls: Do not discharge into drains or the environment
Appearance: Clear, colorless liquid
Odor: Mild organic, slightly pungent
Odor Threshold: Not established
pH: Not applicable
Melting Point/Freezing Point: -26°C
Boiling Point/Range: 241°C
Flash Point: 107°C (closed cup)
Evaporation Rate: Slow
Flammability: Flammable liquid
Vapor Pressure: 1.7 mmHg at 25°C
Vapor Density: Heavier than air
Relative Density: 1.03 g/cm³
Solubility in Water: Slightly soluble
Partition Coefficient (log Kow): Estimated 1.8
Auto-Ignition Temperature: 473°C
Decomposition Temperature: Not available
Viscosity: 1.15 cP at 20°C
Chemical Stability: Stable under normal conditions of storage and handling; sensitive to heat and light
Possibility of Hazardous Reactions: Reacts vigorously with strong acids and oxidizing agents; can form toxic cyanide gas with acids
Conditions to Avoid: Heat, sparks, open flame, electrostatic discharge, direct sunlight
Incompatible Materials: Strong oxidizers, acids, strong bases, reducing agents
Hazardous Decomposition Products: Cyanide fumes, nitrogen oxides, carbon monoxide, and carbon dioxide
Polymerization: No hazardous polymerization expected
Likely Routes of Exposure: Inhalation, skin and eye contact, ingestion
Acute Toxicity: LD50 oral (rat): 110 mg/kg; LD50 dermal (rabbit): 140 mg/kg; LC50 inhalation (rat, 4hr): 225 ppm
Skin Corrosion/Irritation: Causes severe skin irritation and possible burns
Serious Eye Damage/Irritation: Produces severe eye irritation and damage
Respiratory Sensitization: Vapors or mists may cause respiratory tract irritation, coughing, and dizziness
Chronic Effects: Extended or repeated contact may lead to dermatitis, effects on liver and kidneys, and nervous system symptoms
Carcinogenicity: Not listed as a known carcinogen by NTP, IARC, OSHA
Mutagenicity: No data available
Reproductive Toxicity: Not enough evidence in current literature
Ecotoxicity: Highly toxic to aquatic life; LC50 (fish, 96h): 4 mg/L; EC50 (daphnia, 48h): 2.8 mg/L
Persistence and Degradability: Not readily biodegradable; may persist in soil and water
Bioaccumulative Potential: Potential for bioaccumulation due to log Kow
Mobility in Soil: Moderately mobile; may leach to groundwater
Other Adverse Effects: Toxic to aquatic environment even in low concentrations; disposal should minimize environmental impact
Waste Disposal Methods: Incinerate at a licensed facility; consult local, state, or federal regulatory agencies for acceptable disposal procedures
Contaminated Packaging: Triple rinse containers before disposal; puncture and dispose of in accordance with official regulations
Special Precautions: Never dump large quantities in drains; prevent release to environment; contact hazardous waste handler
UN Number: UN 3276
UN Shipping Name: Nitriles, toxic, liquid, n.o.s. (Hexaacetonitrile)
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: II
Labels: Toxic (Skull and Crossbones)
Transport by Air (IATA): Forbidden on passenger aircraft, cargo aircraft only
Sea Transport (IMDG): Marine pollutant, proper stowage required
Special Transport Precautions: Keep separable from foodstuffs; make sure containers are upright and tightly closed
OSHA Status: Considered hazardous under OSHA regulations
SARA Title III: Not subject to Section 313 reporting
TSCA Status: Listed in TSCA inventory
Canada DSL/NDSL: Listed
EU Reach Status: Registered; follow appropriate restrictions
Other U.S. Regulations: Subject to state-specific reporting requirements
International Inventories: Included in most major regulatory inventories worldwide
Labeling: Label according to GHS and local legislation
